Mol:FL3FCCGS0002
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.7121 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7121 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2610 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8100 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8100 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2610 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3589 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9078 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9078 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3589 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1872 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4569 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0028 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0028 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4569 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2610 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0028 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0527 0.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0202 -0.4431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6484 -0.8058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4491 -0.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.6484 0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0202 0.9562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2195 0.2587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9898 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1816 -1.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4969 -1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0693 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0693 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5692 1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
16 19 1 0 0 0 0
20 15 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
25 20 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 -3.0693 0.4756
S SKP 8
ID FL3FCCGS0002
KNApSAcK_ID C00004334
NAME Luteolin 7-methyl ether 4'-rhamnoside
CAS_RN 31159-36-1
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES O([C@@H]1Oc(c(O)2)ccc(C(O4)=CC(c(c34)c(cc(c3)OC)O)=O)c2)C([C@@H](O)[C@H]([C@@H]1O)O)C
M END
</pre>
